methyl 5-[3-oxidanylidene-4-[(phenylmethyl)carbamoylamino]thiolan-2-yl]pentanoate

Systemtic Name: methyl 5-[3-oxidanylidene-4-[(phenylmethyl)carbamoylamino]thiolan-2-yl]pentanoate Openeye Name: methyl 5-[4-(benzylcarbamoylamino)-3-oxo-tetrahydrothiophen-2-yl]pentanoate CAS Name: 5-[3-oxo-4-[[oxo-[(phenylmethyl)amino]methyl]amino]-2-thiolanyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[4-(benzylcarbamoylamino)-3-oxothiolan-2-yl]pentanoate Traditional Name: 5-[4-(benzylcarbamoylamino)-3-keto-tetrahydrothiophen-2-yl]valeric acid methyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1C(=O)C(CS1)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCC1C(=O)C(CS1)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H24N2O4S/c1-24-16(21)10-6-5-9-15-17(22)14(12-25-15)20-18(23)19-11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H2,19,20,23)